2-[8-[2-(dimethylamino)ethyl]naphthalen-2-yl]-N-methylacetamide

C17H22N2O — CID 19012583

IUPAC2-[8-[2-(dimethylamino)ethyl]naphthalen-2-yl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc2cccc(CCN(C)C)c2c1
InChIInChI=1S/C17H22N2O/c1-18-17(20)12-13-7-8-14-5-4-6-15(16(14)11-13)9-10-19(2)3/h4-8,11H,9-10,12H2,1-3H3,(H,18,20)
InChIKeyIRZKWVFVIIWIMJ-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.23
Rot. Bonds5

About 2-[8-[2-(dimethylamino)ethyl]naphthalen-2-yl]-N-methylacetamide

2-[8-[2-(dimethylamino)ethyl]naphthalen-2-yl]-N-methylacetamide (PubChem CID 19012583) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[8-[2-(dimethylamino)ethyl]naphthalen-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[8-[2-(dimethylamino)ethyl]naphthalen-2-yl]-N-methylacetamide
PubChem CID19012583
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-[8-[2-(dimethylamino)ethyl]naphthalen-2-yl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc2cccc(CCN(C)C)c2c1
InChIInChI=1S/C17H22N2O/c1-18-17(20)12-13-7-8-14-5-4-6-15(16(14)11-13)9-10-19(2)3/h4-8,11H,9-10,12H2,1-3H3,(H,18,20)
InChIKeyIRZKWVFVIIWIMJ-UHFFFAOYSA-N
XLogP2.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[8-[2-(dimethylamino)ethyl]naphthalen-2-yl]-N-methylacetamide?
The IUPAC name of 2-[8-[2-(dimethylamino)ethyl]naphthalen-2-yl]-N-methylacetamide (CID 19012583) is 2-[8-[2-(dimethylamino)ethyl]naphthalen-2-yl]-N-methylacetamide.
What is the SMILES notation for 2-[8-[2-(dimethylamino)ethyl]naphthalen-2-yl]-N-methylacetamide?
The canonical SMILES for 2-[8-[2-(dimethylamino)ethyl]naphthalen-2-yl]-N-methylacetamide is CNC(=O)Cc1ccc2cccc(CCN(C)C)c2c1.
What is the InChIKey of 2-[8-[2-(dimethylamino)ethyl]naphthalen-2-yl]-N-methylacetamide?
The InChIKey is IRZKWVFVIIWIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-18-17(20)12-13-7-8-14-5-4-6-15(16(14)11-13)9-10-19(2)3/h4-8,11H,9-10,12H2,1-3H3,(H,18,20).
What are the key properties of 2-[8-[2-(dimethylamino)ethyl]naphthalen-2-yl]-N-methylacetamide?
2-[8-[2-(dimethylamino)ethyl]naphthalen-2-yl]-N-methylacetamide has a molecular weight of 270.38 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[2-(dimethylamino)ethyl]naphthalen-2-yl]-N-methylacetamide is sourced from PubChem (CID 19012583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).